Crystallography Open Database

Information card for entry 4510463

Preview

Coordinates	4510463.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H52 Dy5 K5 N10 O66
Calculated formula	C40 Dy5 K5 N10 O66
Title of publication	Novel 3D Alkali‒Lanthanide Heterometal‒Organic Frameworks with Pyrazine-2,3,5,6-tetracarboxylic Acid: Synthesis, Structure, and Magnetism
Authors of publication	Zhang, Fengming; Yan, Pengfei; Zou, Xiaoyan; Zhang, Juwen; Hou, Guangfeng; Li, Guangming
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	4
Pages of publication	2014
a	15.2339 ± 0.0004 Å
b	33.4083 ± 0.001 Å
c	14.3529 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	7304.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0538
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.231
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179651 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/04.	4510463.cif
110428	2014-04-19	cif/ Adding structures of 4510463, 4510464, 4510465 via cif-deposit CGI script.	4510463.cif